USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 SER OG : rot 121:sc= -2.03! USER MOD Set 1.2: A 23 CYS SG : rot 60:sc= -1.52 USER MOD Set 2.1: A 5 HIS : no HE2:sc= -3.9! C(o=-12!,f=-13!) USER MOD Set 2.2: A 92 ASN : amide:sc= -7.32! C(o=-12!,f=-23!) USER MOD Set 2.3: A 94 SER OG : rot -17:sc= -0.87 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.51 F(o=-3.5!,f=-1.5) USER MOD Single : A 10 ASN :FLIP amide:sc= -5.76! C(o=-7.8!,f=-5.8!) USER MOD Single : A 17 HIS : no HE2:sc= -6.48! C(o=-6.5!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -9.03! C(o=-9!,f=-12!) USER MOD Single : A 25 ASN : amide:sc= -1.98 K(o=-2,f=-3.5!) USER MOD Single : A 33 SER OG : rot 129:sc= 0.101 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 82:sc= 0.62 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.42! C(o=-5.4!,f=-6.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -59:sc= 0.366 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0765 F(o=-1.2,f=-0.076) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.05! C(o=-2.4!,f=-1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.0052) USER MOD Single : A 80 ASN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.853 X(o=-0.85,f=-0.41) USER MOD Single : A 99 ASN : amide:sc= -1.84 K(o=-1.8,f=-4.7!) USER MOD Single : A 101 CYS SG : rot 180:sc= -0.0408 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.678 -8.706 -4.223 1.00 0.00 N ATOM 21 CA GLY A 2 -5.229 -7.382 -4.002 1.00 0.00 C ATOM 22 C GLY A 2 -5.790 -6.770 -5.263 1.00 0.00 C ATOM 23 O GLY A 2 -5.329 -5.726 -5.725 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.016 -7.441 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.452 -6.731 -3.601 1.00 0.00 H new ATOM 27 N ASN A 3 -6.806 -7.421 -5.801 1.00 0.00 N ATOM 28 CA ASN A 3 -7.482 -6.960 -7.003 1.00 0.00 C ATOM 29 C ASN A 3 -8.118 -5.592 -6.777 1.00 0.00 C ATOM 30 O ASN A 3 -8.520 -4.924 -7.727 1.00 0.00 O ATOM 31 CB ASN A 3 -8.546 -7.966 -7.436 1.00 0.00 C ATOM 32 CG ASN A 3 -8.031 -8.940 -8.477 1.00 0.00 C ATOM 33 OD1 ASN A 3 -8.322 -8.807 -9.666 1.00 0.00 O ATOM 34 ND2 ASN A 3 -7.262 -9.928 -8.034 1.00 0.00 N ATOM 0 H ASN A 3 -7.187 -8.286 -5.417 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.739 -6.869 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.894 -8.520 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.406 -7.431 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.887 -10.615 -8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.046 -10.000 -7.040 1.00 0.00 H new ATOM 41 N PHE A 4 -8.240 -5.192 -5.509 1.00 0.00 N ATOM 42 CA PHE A 4 -8.864 -3.920 -5.167 1.00 0.00 C ATOM 43 C PHE A 4 -8.353 -2.792 -6.060 1.00 0.00 C ATOM 44 O PHE A 4 -9.091 -1.863 -6.384 1.00 0.00 O ATOM 45 CB PHE A 4 -8.602 -3.582 -3.693 1.00 0.00 C ATOM 46 CG PHE A 4 -7.371 -2.743 -3.466 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.113 -3.233 -3.781 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.476 -1.463 -2.945 1.00 0.00 C ATOM 49 CE1 PHE A 4 -4.984 -2.462 -3.580 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.350 -0.688 -2.743 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.103 -1.188 -3.060 1.00 0.00 C ATOM 0 H PHE A 4 -7.915 -5.732 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.937 -4.019 -5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.468 -3.054 -3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.506 -4.510 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.014 -4.228 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.449 -1.067 -2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.010 -2.855 -3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.445 0.308 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.222 -0.584 -2.902 1.00 0.00 H new ATOM 61 N HIS A 5 -7.093 -2.884 -6.462 1.00 0.00 N ATOM 62 CA HIS A 5 -6.496 -1.875 -7.323 1.00 0.00 C ATOM 63 C HIS A 5 -7.216 -1.819 -8.667 1.00 0.00 C ATOM 64 O HIS A 5 -7.361 -0.750 -9.262 1.00 0.00 O ATOM 65 CB HIS A 5 -5.006 -2.170 -7.526 1.00 0.00 C ATOM 66 CG HIS A 5 -4.713 -3.085 -8.678 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.284 -2.630 -9.908 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.792 -4.432 -8.785 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.114 -3.657 -10.721 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.415 -4.762 -10.063 1.00 0.00 N ATOM 0 H HIS A 5 -6.466 -3.646 -6.206 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.599 -0.903 -6.841 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.478 -1.229 -7.680 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.607 -2.613 -6.614 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.123 -1.653 -10.152 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.095 -5.119 -8.009 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.785 -3.603 -11.748 1.00 0.00 H new ATOM 79 N GLU A 6 -7.663 -2.978 -9.142 1.00 0.00 N ATOM 80 CA GLU A 6 -8.362 -3.061 -10.416 1.00 0.00 C ATOM 81 C GLU A 6 -9.828 -2.656 -10.268 1.00 0.00 C ATOM 82 O GLU A 6 -10.464 -2.230 -11.232 1.00 0.00 O ATOM 83 CB GLU A 6 -8.252 -4.478 -10.989 1.00 0.00 C ATOM 84 CG GLU A 6 -9.161 -5.498 -10.314 1.00 0.00 C ATOM 85 CD GLU A 6 -10.089 -6.191 -11.293 1.00 0.00 C ATOM 86 OE1 GLU A 6 -10.603 -5.511 -12.207 1.00 0.00 O ATOM 87 OE2 GLU A 6 -10.304 -7.412 -11.145 1.00 0.00 O ATOM 0 H GLU A 6 -7.553 -3.871 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.891 -2.364 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.487 -4.447 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.219 -4.814 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.550 -6.245 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.754 -4.999 -9.548 1.00 0.00 H new ATOM 94 N SER A 7 -10.358 -2.792 -9.056 1.00 0.00 N ATOM 95 CA SER A 7 -11.748 -2.440 -8.788 1.00 0.00 C ATOM 96 C SER A 7 -11.849 -1.168 -7.948 1.00 0.00 C ATOM 97 O SER A 7 -12.905 -0.867 -7.392 1.00 0.00 O ATOM 98 CB SER A 7 -12.458 -3.592 -8.074 1.00 0.00 C ATOM 99 OG SER A 7 -13.810 -3.690 -8.485 1.00 0.00 O ATOM 0 H SER A 7 -9.847 -3.143 -8.246 1.00 0.00 H new ATOM 0 HA SER A 7 -12.234 -2.254 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.942 -4.528 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.412 -3.439 -6.996 1.00 0.00 H new ATOM 0 HG SER A 7 -14.241 -4.434 -8.016 1.00 0.00 H new ATOM 105 N SER A 8 -10.752 -0.419 -7.862 1.00 0.00 N ATOM 106 CA SER A 8 -10.736 0.819 -7.091 1.00 0.00 C ATOM 107 C SER A 8 -10.154 1.963 -7.913 1.00 0.00 C ATOM 108 O SER A 8 -9.366 1.743 -8.833 1.00 0.00 O ATOM 109 CB SER A 8 -9.924 0.644 -5.806 1.00 0.00 C ATOM 110 OG SER A 8 -9.866 1.854 -5.071 1.00 0.00 O ATOM 0 H SER A 8 -9.867 -0.647 -8.315 1.00 0.00 H new ATOM 0 HA SER A 8 -11.766 1.062 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.373 -0.137 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.914 0.315 -6.052 1.00 0.00 H new ATOM 0 HG SER A 8 -10.255 1.716 -4.182 1.00 0.00 H new ATOM 116 N ASN A 9 -10.542 3.186 -7.570 1.00 0.00 N ATOM 117 CA ASN A 9 -10.057 4.366 -8.268 1.00 0.00 C ATOM 118 C ASN A 9 -9.352 5.309 -7.297 1.00 0.00 C ATOM 119 O ASN A 9 -9.545 5.228 -6.086 1.00 0.00 O ATOM 120 CB ASN A 9 -11.214 5.082 -8.971 1.00 0.00 C ATOM 121 CG ASN A 9 -10.816 6.434 -9.528 1.00 0.00 C ATOM 122 OD1 ASN A 9 -10.936 7.466 -8.705 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.406 6.548 -10.683 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.193 3.384 -6.810 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.337 4.051 -9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.584 4.455 -9.782 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.036 5.212 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.330 5.725 -11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.142 7.465 -11.042 1.00 0.00 H new ATOM 130 N ASN A 10 -8.527 6.192 -7.844 1.00 0.00 N ATOM 131 CA ASN A 10 -7.775 7.152 -7.043 1.00 0.00 C ATOM 132 C ASN A 10 -6.849 6.431 -6.056 1.00 0.00 C ATOM 133 O ASN A 10 -6.934 6.609 -4.846 1.00 0.00 O ATOM 134 CB ASN A 10 -8.743 8.140 -6.350 1.00 0.00 C ATOM 135 CG ASN A 10 -8.997 7.872 -4.878 1.00 0.00 C ATOM 136 OD1 ASN A 10 -10.082 7.169 -4.589 1.00 0.00 O flip ATOM 137 ND2 ASN A 10 -8.241 8.312 -4.011 1.00 0.00 N flip ATOM 0 H ASN A 10 -8.360 6.264 -8.848 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.129 7.740 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.344 9.149 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.697 8.118 -6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.416 8.849 -4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.440 8.140 -3.026 1.00 0.00 H new ATOM 144 N ILE A 11 -5.950 5.613 -6.594 1.00 0.00 N ATOM 145 CA ILE A 11 -5.003 4.871 -5.768 1.00 0.00 C ATOM 146 C ILE A 11 -3.694 5.644 -5.626 1.00 0.00 C ATOM 147 O ILE A 11 -2.999 5.890 -6.612 1.00 0.00 O ATOM 148 CB ILE A 11 -4.697 3.470 -6.349 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.854 2.971 -7.220 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.420 2.479 -5.227 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.165 2.858 -6.475 1.00 0.00 C ATOM 0 H ILE A 11 -5.857 5.447 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.470 4.745 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.809 3.552 -6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.982 3.649 -8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.594 1.996 -7.632 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.207 1.498 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.562 2.817 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.293 2.411 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.939 2.499 -7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.054 2.157 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.448 3.836 -6.086 1.00 0.00 H new ATOM 163 N TRP A 12 -3.365 6.031 -4.397 1.00 0.00 N ATOM 164 CA TRP A 12 -2.140 6.782 -4.136 1.00 0.00 C ATOM 165 C TRP A 12 -1.768 6.731 -2.656 1.00 0.00 C ATOM 166 O TRP A 12 -2.380 6.001 -1.877 1.00 0.00 O ATOM 167 CB TRP A 12 -2.308 8.236 -4.582 1.00 0.00 C ATOM 168 CG TRP A 12 -3.388 8.962 -3.840 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.729 8.713 -3.896 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.220 10.057 -2.932 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.406 9.585 -3.078 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.501 10.420 -2.475 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.111 10.766 -2.459 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.703 11.459 -1.569 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.313 11.797 -1.561 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.600 12.135 -1.124 1.00 0.00 C ATOM 0 H TRP A 12 -3.927 5.838 -3.568 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.334 6.322 -4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.364 8.763 -4.443 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.531 8.258 -5.649 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.191 7.943 -4.496 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.417 9.607 -2.942 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.115 10.512 -2.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.694 11.721 -1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.464 12.352 -1.190 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.724 12.946 -0.421 1.00 0.00 H new ATOM 187 N LEU A 13 -0.757 7.509 -2.278 1.00 0.00 N ATOM 188 CA LEU A 13 -0.300 7.552 -0.893 1.00 0.00 C ATOM 189 C LEU A 13 -0.092 8.990 -0.427 1.00 0.00 C ATOM 190 O LEU A 13 0.318 9.852 -1.205 1.00 0.00 O ATOM 191 CB LEU A 13 1.002 6.762 -0.743 1.00 0.00 C ATOM 192 CG LEU A 13 1.138 5.981 0.565 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.060 5.064 0.767 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.434 5.183 0.577 1.00 0.00 C ATOM 0 H LEU A 13 -0.239 8.118 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.070 7.099 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.083 6.063 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.840 7.454 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 13 1.166 6.693 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.054 4.517 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.972 5.660 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.122 4.358 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.514 4.634 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.436 4.481 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.281 5.863 0.481 1.00 0.00 H new ATOM 206 N GLU A 14 -0.373 9.241 0.848 1.00 0.00 N ATOM 207 CA GLU A 14 -0.213 10.573 1.421 1.00 0.00 C ATOM 208 C GLU A 14 0.816 10.555 2.547 1.00 0.00 C ATOM 209 O GLU A 14 0.669 9.822 3.525 1.00 0.00 O ATOM 210 CB GLU A 14 -1.557 11.095 1.943 1.00 0.00 C ATOM 211 CG GLU A 14 -1.445 12.376 2.757 1.00 0.00 C ATOM 212 CD GLU A 14 -2.795 12.908 3.196 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.798 12.622 2.510 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.849 13.611 4.227 1.00 0.00 O ATOM 0 H GLU A 14 -0.713 8.538 1.505 1.00 0.00 H new ATOM 0 HA GLU A 14 0.143 11.241 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.221 11.270 1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.021 10.324 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.828 12.190 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.935 13.135 2.164 1.00 0.00 H new ATOM 221 N ASP A 15 1.858 11.364 2.398 1.00 0.00 N ATOM 222 CA ASP A 15 2.916 11.443 3.398 1.00 0.00 C ATOM 223 C ASP A 15 3.602 10.089 3.582 1.00 0.00 C ATOM 224 O ASP A 15 4.282 9.859 4.581 1.00 0.00 O ATOM 225 CB ASP A 15 2.349 11.933 4.732 1.00 0.00 C ATOM 226 CG ASP A 15 2.909 13.282 5.139 1.00 0.00 C ATOM 227 OD1 ASP A 15 4.149 13.436 5.136 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.108 14.185 5.460 1.00 0.00 O ATOM 0 H ASP A 15 1.993 11.976 1.593 1.00 0.00 H new ATOM 0 HA ASP A 15 3.661 12.156 3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.264 12.001 4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.571 11.201 5.509 1.00 0.00 H new ATOM 233 N GLY A 16 3.425 9.199 2.608 1.00 0.00 N ATOM 234 CA GLY A 16 4.038 7.886 2.680 1.00 0.00 C ATOM 235 C GLY A 16 3.594 7.087 3.889 1.00 0.00 C ATOM 236 O GLY A 16 4.425 6.625 4.672 1.00 0.00 O ATOM 0 H GLY A 16 2.867 9.365 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.796 7.329 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.122 7.999 2.705 1.00 0.00 H new ATOM 240 N HIS A 17 2.284 6.910 4.040 1.00 0.00 N ATOM 241 CA HIS A 17 1.745 6.148 5.162 1.00 0.00 C ATOM 242 C HIS A 17 0.225 6.008 5.069 1.00 0.00 C ATOM 243 O HIS A 17 -0.340 5.008 5.512 1.00 0.00 O ATOM 244 CB HIS A 17 2.144 6.793 6.494 1.00 0.00 C ATOM 245 CG HIS A 17 1.404 8.055 6.816 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.301 9.116 5.942 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.735 8.425 7.934 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.603 10.085 6.509 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.248 9.690 7.718 1.00 0.00 N ATOM 0 H HIS A 17 1.580 7.282 3.403 1.00 0.00 H new ATOM 0 HA HIS A 17 2.173 5.147 5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.978 6.074 7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.212 7.008 6.474 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.701 9.148 5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.608 7.834 8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.364 11.038 6.060 1.00 0.00 H new ATOM 258 N ILE A 18 -0.435 7.009 4.491 1.00 0.00 N ATOM 259 CA ILE A 18 -1.887 6.979 4.346 1.00 0.00 C ATOM 260 C ILE A 18 -2.289 6.641 2.913 1.00 0.00 C ATOM 261 O ILE A 18 -1.811 7.256 1.960 1.00 0.00 O ATOM 262 CB ILE A 18 -2.522 8.327 4.751 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.276 8.601 6.237 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.016 8.336 4.446 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.087 7.719 7.163 1.00 0.00 C ATOM 0 H ILE A 18 0.011 7.847 4.117 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.257 6.201 5.014 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.053 9.118 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.217 8.461 6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.509 9.645 6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.442 9.296 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.170 8.182 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.506 7.536 5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.859 7.972 8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.149 7.876 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.837 6.674 6.981 1.00 0.00 H new ATOM 277 N LEU A 19 -3.175 5.660 2.772 1.00 0.00 N ATOM 278 CA LEU A 19 -3.649 5.237 1.459 1.00 0.00 C ATOM 279 C LEU A 19 -5.107 5.634 1.258 1.00 0.00 C ATOM 280 O LEU A 19 -5.918 5.536 2.178 1.00 0.00 O ATOM 281 CB LEU A 19 -3.497 3.724 1.300 1.00 0.00 C ATOM 282 CG LEU A 19 -3.828 3.183 -0.092 1.00 0.00 C ATOM 283 CD1 LEU A 19 -2.947 1.988 -0.424 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.298 2.803 -0.180 1.00 0.00 C ATOM 0 H LEU A 19 -3.580 5.142 3.552 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.043 5.737 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.471 3.449 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.142 3.231 2.028 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.631 3.968 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.197 1.617 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.900 2.291 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.112 1.199 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.516 2.420 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.520 2.034 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.913 3.682 0.014 1.00 0.00 H new ATOM 296 N HIS A 20 -5.433 6.080 0.051 1.00 0.00 N ATOM 297 CA HIS A 20 -6.797 6.488 -0.270 1.00 0.00 C ATOM 298 C HIS A 20 -7.221 5.922 -1.620 1.00 0.00 C ATOM 299 O HIS A 20 -6.463 5.968 -2.587 1.00 0.00 O ATOM 300 CB HIS A 20 -6.926 8.018 -0.283 1.00 0.00 C ATOM 301 CG HIS A 20 -5.749 8.735 0.303 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.481 8.659 -0.232 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.651 9.545 1.384 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.655 9.390 0.493 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.340 9.939 1.480 1.00 0.00 N ATOM 0 H HIS A 20 -4.773 6.169 -0.722 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.454 6.091 0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.066 8.352 -1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.822 8.301 0.269 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.221 8.122 -1.059 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.455 9.828 2.047 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.598 9.518 0.310 1.00 0.00 H new ATOM 314 N ALA A 21 -8.434 5.386 -1.673 1.00 0.00 N ATOM 315 CA ALA A 21 -8.965 4.807 -2.900 1.00 0.00 C ATOM 316 C ALA A 21 -10.459 4.535 -2.760 1.00 0.00 C ATOM 317 O ALA A 21 -10.933 4.178 -1.681 1.00 0.00 O ATOM 318 CB ALA A 21 -8.222 3.524 -3.238 1.00 0.00 C ATOM 0 H ALA A 21 -9.070 5.340 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.821 5.520 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.627 3.100 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.163 3.742 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.342 2.809 -2.424 1.00 0.00 H new ATOM 324 N GLU A 22 -11.200 4.701 -3.850 1.00 0.00 N ATOM 325 CA GLU A 22 -12.639 4.465 -3.829 1.00 0.00 C ATOM 326 C GLU A 22 -12.973 3.091 -4.400 1.00 0.00 C ATOM 327 O GLU A 22 -12.871 2.865 -5.605 1.00 0.00 O ATOM 328 CB GLU A 22 -13.374 5.556 -4.612 1.00 0.00 C ATOM 329 CG GLU A 22 -12.975 5.633 -6.076 1.00 0.00 C ATOM 330 CD GLU A 22 -13.493 6.885 -6.755 1.00 0.00 C ATOM 331 OE1 GLU A 22 -13.742 7.884 -6.048 1.00 0.00 O ATOM 332 OE2 GLU A 22 -13.650 6.866 -7.994 1.00 0.00 O ATOM 0 H GLU A 22 -10.831 4.996 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.971 4.496 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.447 5.377 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.182 6.520 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.888 5.604 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.356 4.756 -6.599 1.00 0.00 H new ATOM 339 N CYS A 23 -13.368 2.174 -3.523 1.00 0.00 N ATOM 340 CA CYS A 23 -13.713 0.818 -3.937 1.00 0.00 C ATOM 341 C CYS A 23 -15.216 0.582 -3.840 1.00 0.00 C ATOM 342 O CYS A 23 -15.849 0.948 -2.849 1.00 0.00 O ATOM 343 CB CYS A 23 -12.973 -0.209 -3.074 1.00 0.00 C ATOM 344 SG CYS A 23 -11.260 0.231 -2.696 1.00 0.00 S ATOM 0 H CYS A 23 -13.457 2.345 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.409 0.699 -4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.517 -0.339 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.984 -1.171 -3.586 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.234 1.360 -2.051 1.00 0.00 H new ATOM 350 N GLY A 24 -15.781 -0.035 -4.872 1.00 0.00 N ATOM 351 CA GLY A 24 -17.206 -0.314 -4.880 1.00 0.00 C ATOM 352 C GLY A 24 -17.562 -1.517 -4.028 1.00 0.00 C ATOM 353 O GLY A 24 -16.677 -2.195 -3.504 1.00 0.00 O ATOM 0 H GLY A 24 -15.278 -0.347 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.747 0.559 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.534 -0.488 -5.905 1.00 0.00 H new ATOM 357 N ASN A 25 -18.857 -1.788 -3.888 1.00 0.00 N ATOM 358 CA ASN A 25 -19.315 -2.923 -3.091 1.00 0.00 C ATOM 359 C ASN A 25 -19.975 -3.977 -3.975 1.00 0.00 C ATOM 360 O ASN A 25 -19.825 -5.177 -3.744 1.00 0.00 O ATOM 361 CB ASN A 25 -20.292 -2.472 -1.994 1.00 0.00 C ATOM 362 CG ASN A 25 -20.725 -1.026 -2.141 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.365 -0.172 -1.331 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.504 -0.746 -3.178 1.00 0.00 N ATOM 0 H ASN A 25 -19.605 -1.240 -4.314 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.439 -3.364 -2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.173 -3.113 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.823 -2.607 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.829 0.209 -3.329 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.778 -1.486 -3.825 1.00 0.00 H new ATOM 433 N VAL A 31 -17.163 3.566 -2.963 1.00 0.00 N ATOM 434 CA VAL A 31 -16.997 3.923 -1.559 1.00 0.00 C ATOM 435 C VAL A 31 -15.558 4.330 -1.256 1.00 0.00 C ATOM 436 O VAL A 31 -14.641 3.513 -1.342 1.00 0.00 O ATOM 437 CB VAL A 31 -17.391 2.757 -0.631 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.503 3.235 0.808 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.693 2.120 -1.091 1.00 0.00 C ATOM 0 HA VAL A 31 -17.658 4.769 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.608 2.000 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.782 2.398 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.544 3.637 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.264 4.013 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.953 1.299 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.488 2.866 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.573 1.738 -2.105 1.00 0.00 H new ATOM 449 N GLU A 32 -15.369 5.596 -0.899 1.00 0.00 N ATOM 450 CA GLU A 32 -14.047 6.112 -0.579 1.00 0.00 C ATOM 451 C GLU A 32 -13.507 5.477 0.697 1.00 0.00 C ATOM 452 O GLU A 32 -14.059 5.670 1.780 1.00 0.00 O ATOM 453 CB GLU A 32 -14.104 7.630 -0.421 1.00 0.00 C ATOM 454 CG GLU A 32 -12.802 8.321 -0.773 1.00 0.00 C ATOM 455 CD GLU A 32 -12.884 9.829 -0.632 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.977 10.388 -0.860 1.00 0.00 O ATOM 457 OE2 GLU A 32 -11.854 10.450 -0.295 1.00 0.00 O ATOM 0 H GLU A 32 -16.118 6.284 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.374 5.859 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.899 8.024 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.368 7.871 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.009 7.942 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.528 8.070 -1.798 1.00 0.00 H new ATOM 464 N SER A 33 -12.423 4.720 0.563 1.00 0.00 N ATOM 465 CA SER A 33 -11.807 4.059 1.707 1.00 0.00 C ATOM 466 C SER A 33 -10.330 4.422 1.813 1.00 0.00 C ATOM 467 O SER A 33 -9.722 4.878 0.844 1.00 0.00 O ATOM 468 CB SER A 33 -11.964 2.542 1.591 1.00 0.00 C ATOM 469 OG SER A 33 -13.331 2.174 1.537 1.00 0.00 O ATOM 0 H SER A 33 -11.953 4.549 -0.326 1.00 0.00 H new ATOM 0 HA SER A 33 -12.313 4.402 2.610 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.453 2.188 0.696 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.487 2.058 2.443 1.00 0.00 H new ATOM 0 HG SER A 33 -13.482 1.589 0.766 1.00 0.00 H new ATOM 475 N THR A 34 -9.759 4.219 2.995 1.00 0.00 N ATOM 476 CA THR A 34 -8.353 4.528 3.226 1.00 0.00 C ATOM 477 C THR A 34 -7.724 3.517 4.179 1.00 0.00 C ATOM 478 O THR A 34 -8.368 3.051 5.120 1.00 0.00 O ATOM 479 CB THR A 34 -8.209 5.942 3.791 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.846 6.044 5.052 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.798 7.008 2.891 1.00 0.00 C ATOM 0 H THR A 34 -10.248 3.842 3.807 1.00 0.00 H new ATOM 0 HA THR A 34 -7.830 4.471 2.271 1.00 0.00 H new ATOM 0 HB THR A 34 -7.136 6.113 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.742 6.955 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.663 7.987 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.294 6.987 1.925 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.862 6.818 2.750 1.00 0.00 H new ATOM 489 N LEU A 35 -6.463 3.179 3.928 1.00 0.00 N ATOM 490 CA LEU A 35 -5.748 2.220 4.763 1.00 0.00 C ATOM 491 C LEU A 35 -4.432 2.803 5.265 1.00 0.00 C ATOM 492 O LEU A 35 -3.708 3.465 4.521 1.00 0.00 O ATOM 493 CB LEU A 35 -5.479 0.934 3.980 1.00 0.00 C ATOM 494 CG LEU A 35 -5.035 -0.260 4.831 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.147 -1.293 4.928 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.773 -0.888 4.256 1.00 0.00 C ATOM 0 H LEU A 35 -5.916 3.555 3.154 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.375 1.993 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.385 0.659 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.711 1.135 3.233 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.813 0.101 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.811 -2.133 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.025 -0.840 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.402 -1.648 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.473 -1.734 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.968 -1.232 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.973 -0.148 4.241 1.00 0.00 H new ATOM 508 N ASP A 36 -4.127 2.545 6.532 1.00 0.00 N ATOM 509 CA ASP A 36 -2.896 3.033 7.139 1.00 0.00 C ATOM 510 C ASP A 36 -1.820 1.957 7.102 1.00 0.00 C ATOM 511 O ASP A 36 -2.016 0.851 7.596 1.00 0.00 O ATOM 512 CB ASP A 36 -3.152 3.470 8.583 1.00 0.00 C ATOM 513 CG ASP A 36 -1.971 4.208 9.182 1.00 0.00 C ATOM 514 OD1 ASP A 36 -0.825 3.927 8.772 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.192 5.068 10.061 1.00 0.00 O ATOM 0 H ASP A 36 -4.718 1.999 7.159 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.548 3.893 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.032 4.112 8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.375 2.593 9.191 1.00 0.00 H new ATOM 520 N LEU A 37 -0.688 2.285 6.503 1.00 0.00 N ATOM 521 CA LEU A 37 0.423 1.347 6.401 1.00 0.00 C ATOM 522 C LEU A 37 1.329 1.451 7.614 1.00 0.00 C ATOM 523 O LEU A 37 1.985 0.484 8.000 1.00 0.00 O ATOM 524 CB LEU A 37 1.219 1.605 5.138 1.00 0.00 C ATOM 525 CG LEU A 37 0.385 2.077 3.957 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.112 3.180 3.224 1.00 0.00 C ATOM 527 CD2 LEU A 37 0.065 0.908 3.046 1.00 0.00 C ATOM 0 H LEU A 37 -0.511 3.195 6.078 1.00 0.00 H new ATOM 0 HA LEU A 37 0.011 0.339 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.983 2.353 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.739 0.689 4.857 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.561 2.483 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.510 3.514 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.282 4.017 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.070 2.806 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.532 1.256 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.992 0.470 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.495 0.156 3.602 1.00 0.00 H new ATOM 539 N ASP A 38 1.357 2.636 8.216 1.00 0.00 N ATOM 540 CA ASP A 38 2.180 2.872 9.394 1.00 0.00 C ATOM 541 C ASP A 38 1.819 1.893 10.505 1.00 0.00 C ATOM 542 O ASP A 38 2.547 1.762 11.489 1.00 0.00 O ATOM 543 CB ASP A 38 2.007 4.310 9.885 1.00 0.00 C ATOM 544 CG ASP A 38 3.220 4.811 10.645 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.158 5.320 9.997 1.00 0.00 O ATOM 546 OD2 ASP A 38 3.231 4.693 11.889 1.00 0.00 O ATOM 0 H ASP A 38 0.819 3.446 7.907 1.00 0.00 H new ATOM 0 HA ASP A 38 3.223 2.717 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.821 4.962 9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.129 4.368 10.528 1.00 0.00 H new ATOM 551 N TYR A 39 0.694 1.203 10.340 1.00 0.00 N ATOM 552 CA TYR A 39 0.250 0.233 11.336 1.00 0.00 C ATOM 553 C TYR A 39 -0.056 -1.128 10.701 1.00 0.00 C ATOM 554 O TYR A 39 -0.476 -2.059 11.388 1.00 0.00 O ATOM 555 CB TYR A 39 -0.969 0.774 12.096 1.00 0.00 C ATOM 556 CG TYR A 39 -2.306 0.376 11.511 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.537 0.456 10.147 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.336 -0.076 12.327 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.758 0.097 9.607 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.559 -0.438 11.796 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.765 -0.350 10.436 1.00 0.00 C ATOM 562 OH TYR A 39 -5.982 -0.709 9.903 1.00 0.00 O ATOM 0 H TYR A 39 0.077 1.296 9.533 1.00 0.00 H new ATOM 0 HA TYR A 39 1.063 0.081 12.046 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.921 0.426 13.128 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.909 1.862 12.124 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.750 0.805 9.495 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.178 -0.145 13.393 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.922 0.166 8.542 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.350 -0.788 12.443 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.932 -1.626 9.562 1.00 0.00 H new ATOM 572 N TYR A 40 0.162 -1.239 9.391 1.00 0.00 N ATOM 573 CA TYR A 40 -0.087 -2.488 8.677 1.00 0.00 C ATOM 574 C TYR A 40 1.196 -3.026 8.043 1.00 0.00 C ATOM 575 O TYR A 40 1.314 -4.223 7.783 1.00 0.00 O ATOM 576 CB TYR A 40 -1.157 -2.281 7.602 1.00 0.00 C ATOM 577 CG TYR A 40 -2.522 -2.810 7.990 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.955 -2.772 9.311 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.376 -3.346 7.035 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.200 -3.254 9.667 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.623 -3.830 7.384 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.030 -3.782 8.700 1.00 0.00 C ATOM 583 OH TYR A 40 -6.271 -4.262 9.051 1.00 0.00 O ATOM 0 H TYR A 40 0.510 -0.480 8.805 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.444 -3.222 9.399 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.239 -1.216 7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.835 -2.771 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.308 -2.359 10.071 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.061 -3.385 6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.522 -3.218 10.697 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.275 -4.244 6.629 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.730 -4.598 8.253 1.00 0.00 H new ATOM 593 N ILE A 41 2.156 -2.136 7.799 1.00 0.00 N ATOM 594 CA ILE A 41 3.427 -2.526 7.199 1.00 0.00 C ATOM 595 C ILE A 41 4.601 -2.061 8.059 1.00 0.00 C ATOM 596 O ILE A 41 4.571 -0.970 8.628 1.00 0.00 O ATOM 597 CB ILE A 41 3.575 -1.951 5.774 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.524 -2.563 4.848 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.976 -2.201 5.230 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.991 -1.595 3.817 1.00 0.00 C ATOM 0 H ILE A 41 2.076 -1.141 8.008 1.00 0.00 H new ATOM 0 HA ILE A 41 3.435 -3.614 7.140 1.00 0.00 H new ATOM 0 HB ILE A 41 3.418 -0.873 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.958 -3.423 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.694 -2.935 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.055 -1.787 4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.709 -1.722 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.167 -3.274 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.250 -2.097 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.527 -0.746 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.811 -1.242 3.191 1.00 0.00 H new ATOM 612 N GLY A 42 5.632 -2.896 8.149 1.00 0.00 N ATOM 613 CA GLY A 42 6.798 -2.552 8.942 1.00 0.00 C ATOM 614 C GLY A 42 8.092 -2.667 8.160 1.00 0.00 C ATOM 615 O GLY A 42 8.087 -3.044 6.988 1.00 0.00 O ATOM 0 H GLY A 42 5.681 -3.804 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.692 -1.533 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.845 -3.205 9.813 1.00 0.00 H new ATOM 619 N ASN A 43 9.203 -2.341 8.814 1.00 0.00 N ATOM 620 CA ASN A 43 10.515 -2.407 8.180 1.00 0.00 C ATOM 621 C ASN A 43 11.224 -3.712 8.527 1.00 0.00 C ATOM 622 O ASN A 43 11.679 -3.901 9.655 1.00 0.00 O ATOM 623 CB ASN A 43 11.372 -1.217 8.618 1.00 0.00 C ATOM 624 CG ASN A 43 12.774 -1.260 8.040 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.481 -2.260 8.168 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.186 -0.172 7.403 1.00 0.00 N ATOM 0 H ASN A 43 9.220 -2.028 9.785 1.00 0.00 H new ATOM 0 HA ASN A 43 10.372 -2.370 7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.885 -0.291 8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.433 -1.199 9.706 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.121 -0.142 6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.568 0.635 7.320 1.00 0.00 H new ATOM 633 N ASP A 44 11.321 -4.605 7.550 1.00 0.00 N ATOM 634 CA ASP A 44 11.983 -5.888 7.752 1.00 0.00 C ATOM 635 C ASP A 44 13.277 -5.965 6.947 1.00 0.00 C ATOM 636 O ASP A 44 13.261 -6.267 5.754 1.00 0.00 O ATOM 637 CB ASP A 44 11.052 -7.035 7.355 1.00 0.00 C ATOM 638 CG ASP A 44 11.554 -8.381 7.839 1.00 0.00 C ATOM 639 OD1 ASP A 44 11.606 -8.587 9.070 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.894 -9.229 6.988 1.00 0.00 O ATOM 0 H ASP A 44 10.950 -4.465 6.610 1.00 0.00 H new ATOM 0 HA ASP A 44 12.228 -5.979 8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.059 -6.852 7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.950 -7.057 6.270 1.00 0.00 H new ATOM 645 N ASP A 45 14.398 -5.692 7.610 1.00 0.00 N ATOM 646 CA ASP A 45 15.704 -5.733 6.959 1.00 0.00 C ATOM 647 C ASP A 45 15.717 -4.878 5.694 1.00 0.00 C ATOM 648 O ASP A 45 16.015 -5.366 4.604 1.00 0.00 O ATOM 649 CB ASP A 45 16.078 -7.176 6.617 1.00 0.00 C ATOM 650 CG ASP A 45 17.519 -7.308 6.161 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.425 -7.165 7.009 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.740 -7.556 4.957 1.00 0.00 O ATOM 0 H ASP A 45 14.428 -5.440 8.598 1.00 0.00 H new ATOM 0 HA ASP A 45 16.439 -5.326 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.917 -7.807 7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.416 -7.544 5.833 1.00 0.00 H new ATOM 657 N GLY A 46 15.389 -3.599 5.847 1.00 0.00 N ATOM 658 CA GLY A 46 15.369 -2.700 4.708 1.00 0.00 C ATOM 659 C GLY A 46 14.375 -3.129 3.645 1.00 0.00 C ATOM 660 O GLY A 46 14.460 -2.692 2.497 1.00 0.00 O ATOM 0 H GLY A 46 15.137 -3.170 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.121 -1.694 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.366 -2.652 4.270 1.00 0.00 H new ATOM 664 N SER A 47 13.433 -3.988 4.024 1.00 0.00 N ATOM 665 CA SER A 47 12.422 -4.474 3.092 1.00 0.00 C ATOM 666 C SER A 47 11.020 -4.279 3.660 1.00 0.00 C ATOM 667 O SER A 47 10.851 -4.049 4.858 1.00 0.00 O ATOM 668 CB SER A 47 12.657 -5.953 2.778 1.00 0.00 C ATOM 669 OG SER A 47 12.417 -6.228 1.410 1.00 0.00 O ATOM 0 H SER A 47 13.349 -4.361 4.970 1.00 0.00 H new ATOM 0 HA SER A 47 12.505 -3.897 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.682 -6.224 3.032 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.002 -6.568 3.396 1.00 0.00 H new ATOM 0 HG SER A 47 12.576 -7.179 1.235 1.00 0.00 H new ATOM 675 N PHE A 48 10.018 -4.373 2.792 1.00 0.00 N ATOM 676 CA PHE A 48 8.630 -4.207 3.207 1.00 0.00 C ATOM 677 C PHE A 48 8.060 -5.517 3.742 1.00 0.00 C ATOM 678 O PHE A 48 8.363 -6.593 3.227 1.00 0.00 O ATOM 679 CB PHE A 48 7.783 -3.711 2.033 1.00 0.00 C ATOM 680 CG PHE A 48 7.971 -2.252 1.730 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.881 -1.305 2.738 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.238 -1.828 0.438 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.054 0.038 2.463 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.411 -0.485 0.157 1.00 0.00 C ATOM 685 CZ PHE A 48 8.319 0.448 1.170 1.00 0.00 C ATOM 0 H PHE A 48 10.141 -4.563 1.797 1.00 0.00 H new ATOM 0 HA PHE A 48 8.602 -3.467 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.031 -4.293 1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.731 -3.896 2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.673 -1.620 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.312 -2.554 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.982 0.766 3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.618 -0.167 -0.854 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.454 1.497 0.952 1.00 0.00 H new ATOM 695 N SER A 49 7.235 -5.417 4.779 1.00 0.00 N ATOM 696 CA SER A 49 6.623 -6.595 5.384 1.00 0.00 C ATOM 697 C SER A 49 5.119 -6.403 5.554 1.00 0.00 C ATOM 698 O SER A 49 4.673 -5.428 6.159 1.00 0.00 O ATOM 699 CB SER A 49 7.267 -6.891 6.739 1.00 0.00 C ATOM 700 OG SER A 49 7.133 -5.789 7.620 1.00 0.00 O ATOM 0 H SER A 49 6.975 -4.534 5.218 1.00 0.00 H new ATOM 0 HA SER A 49 6.789 -7.441 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.802 -7.772 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.323 -7.123 6.600 1.00 0.00 H new ATOM 0 HG SER A 49 7.560 -5.001 7.225 1.00 0.00 H new ATOM 706 N TRP A 50 4.343 -7.339 5.018 1.00 0.00 N ATOM 707 CA TRP A 50 2.890 -7.275 5.112 1.00 0.00 C ATOM 708 C TRP A 50 2.419 -7.666 6.509 1.00 0.00 C ATOM 709 O TRP A 50 2.644 -8.790 6.958 1.00 0.00 O ATOM 710 CB TRP A 50 2.252 -8.194 4.069 1.00 0.00 C ATOM 711 CG TRP A 50 2.094 -7.550 2.725 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.657 -7.959 1.550 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.322 -6.384 2.415 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.282 -7.119 0.529 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.463 -6.144 1.035 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.524 -5.519 3.171 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.837 -5.077 0.396 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.097 -4.460 2.535 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.062 -4.248 1.159 1.00 0.00 C ATOM 0 H TRP A 50 4.697 -8.152 4.513 1.00 0.00 H new ATOM 0 HA TRP A 50 2.581 -6.248 4.919 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.862 -9.091 3.964 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.274 -8.514 4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.303 -8.817 1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.567 -7.207 -0.446 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.395 -5.675 4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.959 -4.910 -0.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.715 -3.785 3.108 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.438 -3.413 0.691 1.00 0.00 H new ATOM 730 N GLY A 51 1.766 -6.731 7.190 1.00 0.00 N ATOM 731 CA GLY A 51 1.274 -6.997 8.529 1.00 0.00 C ATOM 732 C GLY A 51 2.138 -6.368 9.608 1.00 0.00 C ATOM 733 O GLY A 51 1.975 -6.664 10.791 1.00 0.00 O ATOM 0 H GLY A 51 1.569 -5.794 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.256 -6.619 8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.229 -8.074 8.688 1.00 0.00 H new ATOM 737 N GLY A 52 3.059 -5.497 9.202 1.00 0.00 N ATOM 738 CA GLY A 52 3.930 -4.841 10.159 1.00 0.00 C ATOM 739 C GLY A 52 3.414 -3.476 10.569 1.00 0.00 C ATOM 740 O GLY A 52 2.207 -3.239 10.575 1.00 0.00 O ATOM 0 H GLY A 52 3.216 -5.235 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.031 -5.469 11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.925 -4.736 9.727 1.00 0.00 H new ATOM 744 N GLU A 53 4.330 -2.576 10.914 1.00 0.00 N ATOM 745 CA GLU A 53 3.958 -1.228 11.327 1.00 0.00 C ATOM 746 C GLU A 53 5.194 -0.386 11.627 1.00 0.00 C ATOM 747 O GLU A 53 6.265 -0.918 11.918 1.00 0.00 O ATOM 748 CB GLU A 53 3.053 -1.284 12.558 1.00 0.00 C ATOM 749 CG GLU A 53 3.592 -2.169 13.670 1.00 0.00 C ATOM 750 CD GLU A 53 3.052 -1.785 15.033 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.838 -1.510 15.136 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.844 -1.760 15.999 1.00 0.00 O ATOM 0 H GLU A 53 5.334 -2.756 10.916 1.00 0.00 H new ATOM 0 HA GLU A 53 3.416 -0.760 10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.915 -0.274 12.944 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.070 -1.648 12.260 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.334 -3.207 13.460 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.680 -2.107 13.684 1.00 0.00 H new ATOM 759 N ASN A 54 5.035 0.933 11.553 1.00 0.00 N ATOM 760 CA ASN A 54 6.135 1.856 11.816 1.00 0.00 C ATOM 761 C ASN A 54 7.218 1.736 10.748 1.00 0.00 C ATOM 762 O ASN A 54 8.389 2.013 11.006 1.00 0.00 O ATOM 763 CB ASN A 54 6.734 1.593 13.200 1.00 0.00 C ATOM 764 CG ASN A 54 5.672 1.451 14.273 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.363 0.212 14.639 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.137 2.443 14.768 1.00 0.00 N flip ATOM 0 H ASN A 54 4.154 1.387 11.313 1.00 0.00 H new ATOM 0 HA ASN A 54 5.736 2.870 11.788 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.335 0.685 13.166 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.406 2.410 13.463 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.406 3.376 14.456 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.425 2.332 15.490 1.00 0.00 H new ATOM 773 N PHE A 55 6.819 1.324 9.548 1.00 0.00 N ATOM 774 CA PHE A 55 7.758 1.172 8.444 1.00 0.00 C ATOM 775 C PHE A 55 8.393 2.513 8.084 1.00 0.00 C ATOM 776 O PHE A 55 9.603 2.606 7.881 1.00 0.00 O ATOM 777 CB PHE A 55 7.048 0.577 7.222 1.00 0.00 C ATOM 778 CG PHE A 55 6.234 1.576 6.444 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.987 1.977 6.894 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.720 2.113 5.263 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.239 2.894 6.181 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.977 3.031 4.545 1.00 0.00 C ATOM 783 CZ PHE A 55 4.735 3.422 5.005 1.00 0.00 C ATOM 0 H PHE A 55 5.853 1.090 9.317 1.00 0.00 H new ATOM 0 HA PHE A 55 8.549 0.492 8.759 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.793 0.136 6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.395 -0.232 7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.595 1.568 7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.691 1.811 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.268 3.198 6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.367 3.442 3.626 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.152 4.139 4.446 1.00 0.00 H new ATOM 793 N SER A 56 7.563 3.549 8.008 1.00 0.00 N ATOM 794 CA SER A 56 8.036 4.887 7.672 1.00 0.00 C ATOM 795 C SER A 56 8.981 5.418 8.744 1.00 0.00 C ATOM 796 O SER A 56 9.848 6.247 8.465 1.00 0.00 O ATOM 797 CB SER A 56 6.852 5.840 7.502 1.00 0.00 C ATOM 798 OG SER A 56 7.294 7.166 7.267 1.00 0.00 O ATOM 0 H SER A 56 6.559 3.487 8.175 1.00 0.00 H new ATOM 0 HA SER A 56 8.583 4.825 6.731 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.230 5.508 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.229 5.814 8.396 1.00 0.00 H new ATOM 0 HG SER A 56 6.518 7.755 7.160 1.00 0.00 H new ATOM 804 N GLY A 57 8.811 4.936 9.972 1.00 0.00 N ATOM 805 CA GLY A 57 9.657 5.374 11.068 1.00 0.00 C ATOM 806 C GLY A 57 11.135 5.245 10.751 1.00 0.00 C ATOM 807 O GLY A 57 11.963 5.960 11.316 1.00 0.00 O ATOM 0 H GLY A 57 8.102 4.249 10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.429 6.413 11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.427 4.787 11.957 1.00 0.00 H new ATOM 811 N SER A 58 11.466 4.331 9.845 1.00 0.00 N ATOM 812 CA SER A 58 12.854 4.111 9.453 1.00 0.00 C ATOM 813 C SER A 58 13.008 4.155 7.936 1.00 0.00 C ATOM 814 O SER A 58 13.899 3.517 7.375 1.00 0.00 O ATOM 815 CB SER A 58 13.348 2.766 9.989 1.00 0.00 C ATOM 816 OG SER A 58 12.609 2.368 11.130 1.00 0.00 O ATOM 0 H SER A 58 10.793 3.731 9.368 1.00 0.00 H new ATOM 0 HA SER A 58 13.457 4.911 9.882 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.259 2.007 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.405 2.839 10.244 1.00 0.00 H new ATOM 0 HG SER A 58 12.943 1.505 11.452 1.00 0.00 H new ATOM 822 N ALA A 59 12.138 4.913 7.275 1.00 0.00 N ATOM 823 CA ALA A 59 12.183 5.040 5.824 1.00 0.00 C ATOM 824 C ALA A 59 12.249 6.504 5.404 1.00 0.00 C ATOM 825 O ALA A 59 12.021 7.403 6.214 1.00 0.00 O ATOM 826 CB ALA A 59 10.975 4.360 5.197 1.00 0.00 C ATOM 0 H ALA A 59 11.394 5.448 7.722 1.00 0.00 H new ATOM 0 HA ALA A 59 13.087 4.547 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.022 4.463 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.975 3.303 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.062 4.827 5.567 1.00 0.00 H new ATOM 832 N SER A 60 12.562 6.739 4.133 1.00 0.00 N ATOM 833 CA SER A 60 12.658 8.096 3.609 1.00 0.00 C ATOM 834 C SER A 60 12.018 8.197 2.228 1.00 0.00 C ATOM 835 O SER A 60 12.000 7.227 1.471 1.00 0.00 O ATOM 836 CB SER A 60 14.122 8.535 3.537 1.00 0.00 C ATOM 837 OG SER A 60 14.681 8.661 4.832 1.00 0.00 O ATOM 0 H SER A 60 12.753 6.008 3.448 1.00 0.00 H new ATOM 0 HA SER A 60 12.119 8.757 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.694 7.809 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.194 9.488 3.012 1.00 0.00 H new ATOM 0 HG SER A 60 15.617 8.941 4.758 1.00 0.00 H new ATOM 843 N ASN A 61 11.495 9.382 1.912 1.00 0.00 N ATOM 844 CA ASN A 61 10.848 9.637 0.622 1.00 0.00 C ATOM 845 C ASN A 61 10.011 8.442 0.166 1.00 0.00 C ATOM 846 O ASN A 61 10.307 7.815 -0.852 1.00 0.00 O ATOM 847 CB ASN A 61 11.893 9.984 -0.444 1.00 0.00 C ATOM 848 CG ASN A 61 13.123 9.100 -0.367 1.00 0.00 C ATOM 849 OD1 ASN A 61 12.988 7.860 -0.819 1.00 0.00 O flip ATOM 850 ND2 ASN A 61 14.182 9.528 0.092 1.00 0.00 N flip ATOM 0 H ASN A 61 11.507 10.188 2.537 1.00 0.00 H new ATOM 0 HA ASN A 61 10.178 10.486 0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.443 9.889 -1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.192 11.026 -0.329 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.241 10.489 0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 61 15.001 8.922 0.136 1.00 0.00 H new ATOM 857 N ILE A 62 8.964 8.135 0.924 1.00 0.00 N ATOM 858 CA ILE A 62 8.085 7.019 0.596 1.00 0.00 C ATOM 859 C ILE A 62 6.954 7.469 -0.322 1.00 0.00 C ATOM 860 O ILE A 62 6.153 8.330 0.041 1.00 0.00 O ATOM 861 CB ILE A 62 7.478 6.379 1.862 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.502 6.351 2.999 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.983 4.973 1.557 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.962 5.755 4.281 1.00 0.00 C ATOM 0 H ILE A 62 8.704 8.643 1.769 1.00 0.00 H new ATOM 0 HA ILE A 62 8.698 6.276 0.086 1.00 0.00 H new ATOM 0 HB ILE A 62 6.631 6.986 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.373 5.778 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.843 7.367 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.557 4.533 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.220 5.016 0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.817 4.360 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.740 5.767 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.109 6.341 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.647 4.727 4.100 1.00 0.00 H new ATOM 876 N THR A 63 6.897 6.885 -1.514 1.00 0.00 N ATOM 877 CA THR A 63 5.864 7.231 -2.485 1.00 0.00 C ATOM 878 C THR A 63 5.367 5.993 -3.225 1.00 0.00 C ATOM 879 O THR A 63 6.058 4.975 -3.288 1.00 0.00 O ATOM 880 CB THR A 63 6.400 8.256 -3.486 1.00 0.00 C ATOM 881 OG1 THR A 63 7.796 8.097 -3.668 1.00 0.00 O ATOM 882 CG2 THR A 63 6.152 9.689 -3.068 1.00 0.00 C ATOM 0 H THR A 63 7.553 6.171 -1.831 1.00 0.00 H new ATOM 0 HA THR A 63 5.025 7.665 -1.942 1.00 0.00 H new ATOM 0 HB THR A 63 5.857 8.066 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.119 8.760 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.557 10.363 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.080 9.859 -2.968 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.640 9.879 -2.112 1.00 0.00 H new ATOM 890 N LEU A 64 4.165 6.088 -3.784 1.00 0.00 N ATOM 891 CA LEU A 64 3.572 4.978 -4.522 1.00 0.00 C ATOM 892 C LEU A 64 3.556 5.266 -6.020 1.00 0.00 C ATOM 893 O LEU A 64 3.099 6.324 -6.454 1.00 0.00 O ATOM 894 CB LEU A 64 2.149 4.714 -4.027 1.00 0.00 C ATOM 895 CG LEU A 64 1.446 3.523 -4.682 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.634 2.267 -3.845 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.034 3.819 -4.879 1.00 0.00 C ATOM 0 H LEU A 64 3.582 6.923 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 64 4.182 4.091 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.180 4.551 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.550 5.608 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 64 1.895 3.354 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.127 1.430 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.697 2.045 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.212 2.425 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.518 2.961 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.498 4.015 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.148 4.693 -5.520 1.00 0.00 H new ATOM 909 N ASP A 65 4.059 4.319 -6.806 1.00 0.00 N ATOM 910 CA ASP A 65 4.103 4.472 -8.256 1.00 0.00 C ATOM 911 C ASP A 65 3.488 3.261 -8.952 1.00 0.00 C ATOM 912 O ASP A 65 3.473 2.159 -8.405 1.00 0.00 O ATOM 913 CB ASP A 65 5.546 4.670 -8.724 1.00 0.00 C ATOM 914 CG ASP A 65 5.852 6.117 -9.057 1.00 0.00 C ATOM 915 OD1 ASP A 65 6.234 6.870 -8.137 1.00 0.00 O ATOM 916 OD2 ASP A 65 5.708 6.497 -10.238 1.00 0.00 O ATOM 0 H ASP A 65 4.442 3.438 -6.463 1.00 0.00 H new ATOM 0 HA ASP A 65 3.519 5.353 -8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.228 4.327 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.728 4.051 -9.603 1.00 0.00 H new ATOM 921 N ILE A 66 2.983 3.475 -10.163 1.00 0.00 N ATOM 922 CA ILE A 66 2.369 2.405 -10.936 1.00 0.00 C ATOM 923 C ILE A 66 3.429 1.621 -11.708 1.00 0.00 C ATOM 924 O ILE A 66 4.416 2.187 -12.177 1.00 0.00 O ATOM 925 CB ILE A 66 1.313 2.968 -11.917 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.004 3.229 -11.182 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.091 2.024 -13.092 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.737 1.965 -10.783 1.00 0.00 C ATOM 0 H ILE A 66 2.988 4.382 -10.629 1.00 0.00 H new ATOM 0 HA ILE A 66 1.872 1.732 -10.237 1.00 0.00 H new ATOM 0 HB ILE A 66 1.688 3.911 -12.315 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.199 3.819 -10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.653 3.830 -11.819 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.344 2.448 -13.763 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.028 1.888 -13.632 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.742 1.060 -12.723 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.661 2.227 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.972 1.384 -11.675 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.107 1.373 -10.120 1.00 0.00 H new ATOM 940 N GLU A 67 3.213 0.316 -11.836 1.00 0.00 N ATOM 941 CA GLU A 67 4.147 -0.547 -12.549 1.00 0.00 C ATOM 942 C GLU A 67 3.410 -1.689 -13.241 1.00 0.00 C ATOM 943 O GLU A 67 2.519 -2.309 -12.660 1.00 0.00 O ATOM 944 CB GLU A 67 5.193 -1.109 -11.586 1.00 0.00 C ATOM 945 CG GLU A 67 6.474 -1.555 -12.271 1.00 0.00 C ATOM 946 CD GLU A 67 7.347 -0.388 -12.691 1.00 0.00 C ATOM 947 OE1 GLU A 67 6.790 0.667 -13.060 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.587 -0.530 -12.652 1.00 0.00 O ATOM 0 H GLU A 67 2.399 -0.167 -11.455 1.00 0.00 H new ATOM 0 HA GLU A 67 4.649 0.052 -13.309 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.434 -0.350 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.764 -1.956 -11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.037 -2.201 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.224 -2.151 -13.148 1.00 0.00 H new ATOM 955 N GLY A 68 3.789 -1.962 -14.485 1.00 0.00 N ATOM 956 CA GLY A 68 3.154 -3.029 -15.235 1.00 0.00 C ATOM 957 C GLY A 68 2.061 -2.522 -16.155 1.00 0.00 C ATOM 958 O GLY A 68 1.674 -1.355 -16.086 1.00 0.00 O ATOM 0 H GLY A 68 4.524 -1.464 -14.987 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.907 -3.552 -15.825 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.732 -3.755 -14.541 1.00 0.00 H new ATOM 962 N ASP A 69 1.564 -3.400 -17.019 1.00 0.00 N ATOM 963 CA ASP A 69 0.509 -3.035 -17.959 1.00 0.00 C ATOM 964 C ASP A 69 -0.868 -3.090 -17.299 1.00 0.00 C ATOM 965 O ASP A 69 -1.856 -2.628 -17.870 1.00 0.00 O ATOM 966 CB ASP A 69 0.540 -3.965 -19.173 1.00 0.00 C ATOM 967 CG ASP A 69 0.121 -3.263 -20.450 1.00 0.00 C ATOM 968 OD1 ASP A 69 -1.098 -3.186 -20.713 1.00 0.00 O ATOM 969 OD2 ASP A 69 1.011 -2.789 -21.187 1.00 0.00 O ATOM 0 H ASP A 69 1.874 -4.369 -17.089 1.00 0.00 H new ATOM 0 HA ASP A 69 0.690 -2.010 -18.283 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.547 -4.365 -19.295 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.121 -4.813 -18.994 1.00 0.00 H new ATOM 974 N ASP A 70 -0.932 -3.658 -16.096 1.00 0.00 N ATOM 975 CA ASP A 70 -2.193 -3.768 -15.371 1.00 0.00 C ATOM 976 C ASP A 70 -2.379 -2.606 -14.395 1.00 0.00 C ATOM 977 O ASP A 70 -3.433 -2.476 -13.772 1.00 0.00 O ATOM 978 CB ASP A 70 -2.253 -5.099 -14.616 1.00 0.00 C ATOM 979 CG ASP A 70 -3.281 -6.049 -15.200 1.00 0.00 C ATOM 980 OD1 ASP A 70 -3.409 -6.094 -16.442 1.00 0.00 O ATOM 981 OD2 ASP A 70 -3.956 -6.747 -14.416 1.00 0.00 O ATOM 0 H ASP A 70 -0.127 -4.048 -15.605 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.002 -3.729 -16.100 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.271 -5.571 -14.639 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.491 -4.909 -13.569 1.00 0.00 H new ATOM 986 N ASN A 71 -1.354 -1.766 -14.261 1.00 0.00 N ATOM 987 CA ASN A 71 -1.416 -0.624 -13.357 1.00 0.00 C ATOM 988 C ASN A 71 -1.525 -1.090 -11.913 1.00 0.00 C ATOM 989 O ASN A 71 -2.607 -1.087 -11.325 1.00 0.00 O ATOM 990 CB ASN A 71 -2.600 0.279 -13.709 1.00 0.00 C ATOM 991 CG ASN A 71 -2.550 0.765 -15.144 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.010 1.833 -15.432 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.115 -0.019 -16.055 1.00 0.00 N ATOM 0 H ASN A 71 -0.473 -1.856 -14.767 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.496 -0.051 -13.471 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.530 -0.265 -13.545 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.611 1.138 -13.038 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.112 0.256 -17.037 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.552 -0.896 -15.773 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.395 -1.496 -11.352 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.353 -1.975 -9.978 1.00 0.00 C ATOM 1002 C ILE A 72 0.362 -0.975 -9.068 1.00 0.00 C ATOM 1003 O ILE A 72 1.553 -0.716 -9.239 1.00 0.00 O ATOM 1004 CB ILE A 72 0.358 -3.339 -9.880 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.122 -4.171 -11.145 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.124 -4.092 -8.653 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.327 -4.549 -11.361 1.00 0.00 C ATOM 0 H ILE A 72 0.507 -1.503 -11.828 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.386 -2.087 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 72 1.430 -3.162 -9.787 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.475 -3.609 -12.010 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.721 -5.080 -11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.385 -5.054 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.096 -3.509 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.199 -4.254 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.417 -5.136 -12.275 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.679 -5.138 -10.514 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.929 -3.645 -11.450 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.354 -0.395 -8.084 1.00 0.00 N ATOM 1020 CA PRO A 73 0.229 0.579 -7.153 1.00 0.00 C ATOM 1021 C PRO A 73 1.391 -0.005 -6.356 1.00 0.00 C ATOM 1022 O PRO A 73 1.188 -0.752 -5.399 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.934 0.938 -6.218 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.927 -0.160 -6.386 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.778 -0.638 -7.800 1.00 0.00 C ATOM 0 HA PRO A 73 0.645 1.438 -7.679 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.599 1.010 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.367 1.903 -6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.739 -0.968 -5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.940 0.198 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.035 -1.693 -7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.425 -0.087 -8.482 1.00 0.00 H new ATOM 1033 N VAL A 74 2.609 0.341 -6.759 1.00 0.00 N ATOM 1034 CA VAL A 74 3.805 -0.148 -6.082 1.00 0.00 C ATOM 1035 C VAL A 74 4.419 0.932 -5.197 1.00 0.00 C ATOM 1036 O VAL A 74 4.769 2.012 -5.671 1.00 0.00 O ATOM 1037 CB VAL A 74 4.866 -0.628 -7.091 1.00 0.00 C ATOM 1038 CG1 VAL A 74 6.014 -1.319 -6.371 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.241 -1.553 -8.124 1.00 0.00 C ATOM 0 H VAL A 74 2.794 0.958 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 74 3.493 -0.989 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 74 5.266 0.242 -7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.753 -1.651 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.479 -0.621 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.633 -2.180 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.006 -1.882 -8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.812 -2.421 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.457 -1.020 -8.662 1.00 0.00 H new ATOM 1049 N LEU A 75 4.550 0.630 -3.908 1.00 0.00 N ATOM 1050 CA LEU A 75 5.126 1.574 -2.957 1.00 0.00 C ATOM 1051 C LEU A 75 6.634 1.381 -2.851 1.00 0.00 C ATOM 1052 O LEU A 75 7.107 0.328 -2.424 1.00 0.00 O ATOM 1053 CB LEU A 75 4.478 1.406 -1.582 1.00 0.00 C ATOM 1054 CG LEU A 75 5.032 2.319 -0.485 1.00 0.00 C ATOM 1055 CD1 LEU A 75 5.018 3.771 -0.940 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.232 2.152 0.798 1.00 0.00 C ATOM 0 H LEU A 75 4.265 -0.260 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 75 4.931 2.584 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.408 1.588 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.598 0.370 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 75 6.065 2.033 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.415 4.405 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.634 3.878 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.995 4.072 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.638 2.808 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.190 2.412 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.294 1.117 1.133 1.00 0.00 H new ATOM 1068 N ARG A 76 7.384 2.404 -3.246 1.00 0.00 N ATOM 1069 CA ARG A 76 8.841 2.350 -3.201 1.00 0.00 C ATOM 1070 C ARG A 76 9.400 3.405 -2.252 1.00 0.00 C ATOM 1071 O ARG A 76 8.972 4.559 -2.269 1.00 0.00 O ATOM 1072 CB ARG A 76 9.421 2.554 -4.602 1.00 0.00 C ATOM 1073 CG ARG A 76 9.498 1.276 -5.420 1.00 0.00 C ATOM 1074 CD ARG A 76 9.528 1.571 -6.911 1.00 0.00 C ATOM 1075 NE ARG A 76 8.185 1.670 -7.478 1.00 0.00 N ATOM 1076 CZ ARG A 76 7.938 1.785 -8.781 1.00 0.00 C ATOM 1077 NH1 ARG A 76 8.937 1.815 -9.653 1.00 0.00 N ATOM 1078 NH2 ARG A 76 6.687 1.870 -9.213 1.00 0.00 N ATOM 0 H ARG A 76 7.006 3.282 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 76 9.130 1.366 -2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.810 3.282 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.420 2.980 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.391 0.717 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.641 0.643 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.064 2.504 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.081 0.785 -7.425 1.00 0.00 H new ATOM 0 HE ARG A 76 7.391 1.650 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.901 1.750 -9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.741 1.903 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.915 1.847 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.497 1.958 -10.211 1.00 0.00 H new ATOM 1092 N ALA A 77 10.359 3.001 -1.425 1.00 0.00 N ATOM 1093 CA ALA A 77 10.977 3.912 -0.470 1.00 0.00 C ATOM 1094 C ALA A 77 12.256 3.318 0.110 1.00 0.00 C ATOM 1095 O ALA A 77 12.432 2.100 0.133 1.00 0.00 O ATOM 1096 CB ALA A 77 9.998 4.249 0.645 1.00 0.00 C ATOM 0 H ALA A 77 10.724 2.049 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 77 11.241 4.828 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.472 4.930 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.113 4.724 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.707 3.335 1.162 1.00 0.00 H new ATOM 1102 N GLU A 78 13.144 4.187 0.582 1.00 0.00 N ATOM 1103 CA GLU A 78 14.405 3.747 1.168 1.00 0.00 C ATOM 1104 C GLU A 78 14.210 3.342 2.624 1.00 0.00 C ATOM 1105 O GLU A 78 14.041 4.192 3.498 1.00 0.00 O ATOM 1106 CB GLU A 78 15.452 4.858 1.069 1.00 0.00 C ATOM 1107 CG GLU A 78 15.625 5.407 -0.338 1.00 0.00 C ATOM 1108 CD GLU A 78 16.186 6.815 -0.348 1.00 0.00 C ATOM 1109 OE1 GLU A 78 16.041 7.520 0.673 1.00 0.00 O ATOM 1110 OE2 GLU A 78 16.769 7.214 -1.378 1.00 0.00 O ATOM 0 H GLU A 78 13.014 5.199 0.570 1.00 0.00 H new ATOM 0 HA GLU A 78 14.756 2.879 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.169 5.673 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.410 4.476 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.289 4.751 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.662 5.400 -0.848 1.00 0.00 H new ATOM 1117 N LEU A 79 14.228 2.037 2.877 1.00 0.00 N ATOM 1118 CA LEU A 79 14.047 1.518 4.228 1.00 0.00 C ATOM 1119 C LEU A 79 15.388 1.336 4.932 1.00 0.00 C ATOM 1120 O LEU A 79 16.386 0.979 4.306 1.00 0.00 O ATOM 1121 CB LEU A 79 13.296 0.185 4.184 1.00 0.00 C ATOM 1122 CG LEU A 79 11.781 0.300 4.008 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.174 -1.063 3.711 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.146 0.909 5.248 1.00 0.00 C ATOM 0 H LEU A 79 14.366 1.320 2.165 1.00 0.00 H new ATOM 0 HA LEU A 79 13.461 2.243 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.697 -0.413 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.499 -0.359 5.106 1.00 0.00 H new ATOM 0 HG LEU A 79 11.581 0.957 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.096 -0.962 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.607 -1.462 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.384 -1.742 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.068 0.983 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.355 0.277 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.559 1.903 5.417 1.00 0.00 H new ATOM 1136 N ASN A 80 15.401 1.580 6.238 1.00 0.00 N ATOM 1137 CA ASN A 80 16.615 1.441 7.033 1.00 0.00 C ATOM 1138 C ASN A 80 16.698 0.047 7.654 1.00 0.00 C ATOM 1139 O ASN A 80 15.948 -0.273 8.576 1.00 0.00 O ATOM 1140 CB ASN A 80 16.654 2.504 8.132 1.00 0.00 C ATOM 1141 CG ASN A 80 17.231 3.818 7.645 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.428 3.923 7.376 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.381 4.831 7.528 1.00 0.00 N ATOM 0 H ASN A 80 14.582 1.876 6.769 1.00 0.00 H new ATOM 0 HA ASN A 80 17.472 1.580 6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.645 2.671 8.508 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.249 2.137 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.712 5.740 7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.397 4.700 7.762 1.00 0.00 H new ATOM 1150 N PRO A 81 17.613 -0.804 7.156 1.00 0.00 N ATOM 1151 CA PRO A 81 17.784 -2.166 7.669 1.00 0.00 C ATOM 1152 C PRO A 81 18.484 -2.194 9.022 1.00 0.00 C ATOM 1153 O PRO A 81 19.044 -1.192 9.466 1.00 0.00 O ATOM 1154 CB PRO A 81 18.657 -2.832 6.607 1.00 0.00 C ATOM 1155 CG PRO A 81 19.448 -1.715 6.021 1.00 0.00 C ATOM 1156 CD PRO A 81 18.550 -0.508 6.056 1.00 0.00 C ATOM 0 HA PRO A 81 16.828 -2.663 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.306 -3.591 7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.051 -3.329 5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.359 -1.540 6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.752 -1.946 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.114 0.406 6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.027 -0.370 5.110 1.00 0.00 H new ATOM 1164 N MET A 82 18.450 -3.353 9.670 1.00 0.00 N ATOM 1165 CA MET A 82 19.084 -3.520 10.972 1.00 0.00 C ATOM 1166 C MET A 82 20.603 -3.582 10.832 1.00 0.00 C ATOM 1167 O MET A 82 21.335 -3.275 11.773 1.00 0.00 O ATOM 1168 CB MET A 82 18.571 -4.789 11.653 1.00 0.00 C ATOM 1169 CG MET A 82 18.689 -6.034 10.789 1.00 0.00 C ATOM 1170 SD MET A 82 19.142 -7.498 11.739 1.00 0.00 S ATOM 1171 CE MET A 82 18.082 -8.730 10.986 1.00 0.00 C ATOM 0 H MET A 82 17.990 -4.191 9.315 1.00 0.00 H new ATOM 0 HA MET A 82 18.828 -2.658 11.587 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.126 -4.945 12.578 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.526 -4.646 11.929 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.740 -6.213 10.284 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.435 -5.864 10.013 1.00 0.00 H new ATOM 0 HE1 MET A 82 18.246 -9.694 11.467 1.00 0.00 H new ATOM 0 HE2 MET A 82 17.039 -8.436 11.108 1.00 0.00 H new ATOM 0 HE3 MET A 82 18.315 -8.810 9.924 1.00 0.00 H new ATOM 1181 N ASP A 83 21.071 -3.982 9.653 1.00 0.00 N ATOM 1182 CA ASP A 83 22.503 -4.083 9.394 1.00 0.00 C ATOM 1183 C ASP A 83 23.115 -2.703 9.180 1.00 0.00 C ATOM 1184 O ASP A 83 24.266 -2.460 9.544 1.00 0.00 O ATOM 1185 CB ASP A 83 22.760 -4.964 8.170 1.00 0.00 C ATOM 1186 CG ASP A 83 22.563 -6.438 8.466 1.00 0.00 C ATOM 1187 OD1 ASP A 83 21.413 -6.840 8.741 1.00 0.00 O ATOM 1188 OD2 ASP A 83 23.559 -7.190 8.423 1.00 0.00 O ATOM 0 H ASP A 83 20.480 -4.241 8.863 1.00 0.00 H new ATOM 0 HA ASP A 83 22.974 -4.538 10.265 1.00 0.00 H new ATOM 0 HB2 ASP A 83 22.090 -4.666 7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.778 -4.800 7.815 1.00 0.00 H new ATOM 1193 N GLY A 84 22.339 -1.803 8.586 1.00 0.00 N ATOM 1194 CA GLY A 84 22.821 -0.458 8.333 1.00 0.00 C ATOM 1195 C GLY A 84 22.655 -0.045 6.884 1.00 0.00 C ATOM 1196 O GLY A 84 22.457 -0.888 6.010 1.00 0.00 O ATOM 0 H GLY A 84 21.384 -1.981 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.283 0.243 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.874 -0.395 8.607 1.00 0.00 H new ATOM 1200 N ASP A 85 22.735 1.258 6.629 1.00 0.00 N ATOM 1201 CA ASP A 85 22.591 1.786 5.278 1.00 0.00 C ATOM 1202 C ASP A 85 21.191 1.508 4.733 1.00 0.00 C ATOM 1203 O ASP A 85 20.752 0.359 4.692 1.00 0.00 O ATOM 1204 CB ASP A 85 23.643 1.173 4.350 1.00 0.00 C ATOM 1205 CG ASP A 85 24.893 2.024 4.252 1.00 0.00 C ATOM 1206 OD1 ASP A 85 25.793 1.859 5.103 1.00 0.00 O ATOM 1207 OD2 ASP A 85 24.973 2.857 3.324 1.00 0.00 O ATOM 0 H ASP A 85 22.899 1.968 7.343 1.00 0.00 H new ATOM 0 HA ASP A 85 22.740 2.865 5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 85 23.910 0.181 4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.216 1.044 3.356 1.00 0.00 H new ATOM 1212 N PRO A 86 20.466 2.558 4.305 1.00 0.00 N ATOM 1213 CA PRO A 86 19.111 2.410 3.763 1.00 0.00 C ATOM 1214 C PRO A 86 19.092 1.606 2.468 1.00 0.00 C ATOM 1215 O PRO A 86 19.979 1.746 1.625 1.00 0.00 O ATOM 1216 CB PRO A 86 18.662 3.852 3.503 1.00 0.00 C ATOM 1217 CG PRO A 86 19.926 4.634 3.393 1.00 0.00 C ATOM 1218 CD PRO A 86 20.906 3.965 4.313 1.00 0.00 C ATOM 0 HA PRO A 86 18.459 1.868 4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.073 3.923 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.037 4.224 4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.294 4.639 2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.768 5.674 3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.930 4.069 3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 86 20.874 4.392 5.315 1.00 0.00 H new ATOM 1226 N VAL A 87 18.076 0.764 2.317 1.00 0.00 N ATOM 1227 CA VAL A 87 17.940 -0.065 1.125 1.00 0.00 C ATOM 1228 C VAL A 87 16.650 0.256 0.379 1.00 0.00 C ATOM 1229 O VAL A 87 15.602 0.460 0.992 1.00 0.00 O ATOM 1230 CB VAL A 87 17.951 -1.567 1.475 1.00 0.00 C ATOM 1231 CG1 VAL A 87 18.146 -2.405 0.221 1.00 0.00 C ATOM 1232 CG2 VAL A 87 19.029 -1.874 2.506 1.00 0.00 C ATOM 0 H VAL A 87 17.334 0.637 3.005 1.00 0.00 H new ATOM 0 HA VAL A 87 18.796 0.159 0.488 1.00 0.00 H new ATOM 0 HB VAL A 87 16.986 -1.825 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 87 18.151 -3.462 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.332 -2.210 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.095 -2.144 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.018 -2.939 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 87 20.005 -1.600 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 87 18.837 -1.303 3.414 1.00 0.00 H new ATOM 1242 N GLU A 88 16.733 0.297 -0.946 1.00 0.00 N ATOM 1243 CA GLU A 88 15.569 0.590 -1.773 1.00 0.00 C ATOM 1244 C GLU A 88 14.536 -0.526 -1.663 1.00 0.00 C ATOM 1245 O GLU A 88 14.734 -1.623 -2.186 1.00 0.00 O ATOM 1246 CB GLU A 88 15.988 0.778 -3.234 1.00 0.00 C ATOM 1247 CG GLU A 88 15.571 2.118 -3.819 1.00 0.00 C ATOM 1248 CD GLU A 88 15.707 2.163 -5.328 1.00 0.00 C ATOM 1249 OE1 GLU A 88 16.571 1.440 -5.868 1.00 0.00 O ATOM 1250 OE2 GLU A 88 14.950 2.920 -5.971 1.00 0.00 O ATOM 0 H GLU A 88 17.593 0.131 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 88 15.118 1.515 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.071 0.680 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.554 -0.022 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.536 2.324 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.180 2.908 -3.379 1.00 0.00 H new ATOM 1257 N ALA A 89 13.434 -0.239 -0.979 1.00 0.00 N ATOM 1258 CA ALA A 89 12.372 -1.220 -0.799 1.00 0.00 C ATOM 1259 C ALA A 89 11.174 -0.897 -1.684 1.00 0.00 C ATOM 1260 O ALA A 89 10.808 0.267 -1.852 1.00 0.00 O ATOM 1261 CB ALA A 89 11.952 -1.279 0.661 1.00 0.00 C ATOM 0 H ALA A 89 13.254 0.664 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 89 12.756 -2.196 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.158 -2.016 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.807 -1.563 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.590 -0.300 0.975 1.00 0.00 H new ATOM 1267 N ASN A 90 10.567 -1.935 -2.248 1.00 0.00 N ATOM 1268 CA ASN A 90 9.409 -1.763 -3.116 1.00 0.00 C ATOM 1269 C ASN A 90 8.371 -2.851 -2.856 1.00 0.00 C ATOM 1270 O ASN A 90 8.664 -4.041 -2.971 1.00 0.00 O ATOM 1271 CB ASN A 90 9.838 -1.778 -4.588 1.00 0.00 C ATOM 1272 CG ASN A 90 10.177 -3.170 -5.092 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.524 -3.691 -5.996 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.200 -3.780 -4.506 1.00 0.00 N ATOM 0 H ASN A 90 10.858 -2.904 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 90 8.956 -0.797 -2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.037 -1.361 -5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.705 -1.130 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.472 -4.718 -4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.714 -3.311 -3.760 1.00 0.00 H new ATOM 1281 N VAL A 91 7.159 -2.435 -2.506 1.00 0.00 N ATOM 1282 CA VAL A 91 6.084 -3.378 -2.231 1.00 0.00 C ATOM 1283 C VAL A 91 4.808 -2.990 -2.970 1.00 0.00 C ATOM 1284 O VAL A 91 4.388 -1.833 -2.941 1.00 0.00 O ATOM 1285 CB VAL A 91 5.786 -3.471 -0.721 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.273 -2.140 -0.190 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.788 -4.585 -0.442 1.00 0.00 C ATOM 0 H VAL A 91 6.898 -1.454 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 91 6.422 -4.352 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 91 6.715 -3.706 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.069 -2.228 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.026 -1.369 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.356 -1.869 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.590 -4.636 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.859 -4.382 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.200 -5.536 -0.780 1.00 0.00 H new ATOM 1297 N ASN A 92 4.195 -3.966 -3.628 1.00 0.00 N ATOM 1298 CA ASN A 92 2.966 -3.732 -4.372 1.00 0.00 C ATOM 1299 C ASN A 92 1.751 -3.906 -3.462 1.00 0.00 C ATOM 1300 O ASN A 92 1.418 -5.020 -3.063 1.00 0.00 O ATOM 1301 CB ASN A 92 2.898 -4.690 -5.569 1.00 0.00 C ATOM 1302 CG ASN A 92 1.481 -4.968 -6.033 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.606 -4.107 -5.947 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.251 -6.178 -6.527 1.00 0.00 N ATOM 0 H ASN A 92 4.531 -4.929 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 92 2.960 -2.708 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.468 -4.268 -6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.377 -5.632 -5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.318 -6.426 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.008 -6.860 -6.579 1.00 0.00 H new ATOM 1311 N LEU A 93 1.096 -2.795 -3.135 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.081 -2.824 -2.269 1.00 0.00 C ATOM 1313 C LEU A 93 -1.077 -3.883 -2.733 1.00 0.00 C ATOM 1314 O LEU A 93 -1.683 -4.579 -1.920 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.756 -1.451 -2.242 1.00 0.00 C ATOM 1316 CG LEU A 93 -0.096 -0.423 -1.322 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.008 -0.958 0.098 1.00 0.00 C ATOM 1318 CD2 LEU A 93 1.285 -0.054 -1.842 1.00 0.00 C ATOM 0 H LEU A 93 1.360 -1.863 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 93 0.249 -3.080 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.772 -1.051 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.793 -1.579 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.711 0.477 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.464 -0.213 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.010 -1.173 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.585 -1.872 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.741 0.678 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.909 -0.947 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.196 0.371 -2.842 1.00 0.00 H new ATOM 1330 N SER A 94 -1.231 -4.004 -4.048 1.00 0.00 N ATOM 1331 CA SER A 94 -2.145 -4.984 -4.626 1.00 0.00 C ATOM 1332 C SER A 94 -1.764 -6.407 -4.220 1.00 0.00 C ATOM 1333 O SER A 94 -2.541 -7.341 -4.407 1.00 0.00 O ATOM 1334 CB SER A 94 -2.156 -4.867 -6.151 1.00 0.00 C ATOM 1335 OG SER A 94 -2.324 -3.522 -6.561 1.00 0.00 O ATOM 0 H SER A 94 -0.734 -3.435 -4.734 1.00 0.00 H new ATOM 0 HA SER A 94 -3.143 -4.773 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.223 -5.259 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.961 -5.478 -6.559 1.00 0.00 H new ATOM 0 HG SER A 94 -2.666 -2.992 -5.811 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.563 -6.572 -3.678 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.092 -7.887 -3.262 1.00 0.00 C ATOM 1343 C GLU A 95 -1.001 -8.492 -2.198 1.00 0.00 C ATOM 1344 O GLU A 95 -1.382 -9.659 -2.287 1.00 0.00 O ATOM 1345 CB GLU A 95 1.335 -7.796 -2.721 1.00 0.00 C ATOM 1346 CG GLU A 95 2.388 -7.630 -3.805 1.00 0.00 C ATOM 1347 CD GLU A 95 3.438 -8.724 -3.773 1.00 0.00 C ATOM 1348 OE1 GLU A 95 4.284 -8.707 -2.855 1.00 0.00 O ATOM 1349 OE2 GLU A 95 3.414 -9.596 -4.666 1.00 0.00 O ATOM 0 H GLU A 95 0.100 -5.814 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.108 -8.534 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.400 -6.955 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.555 -8.696 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.902 -7.627 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.874 -6.662 -3.688 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.333 -7.699 -1.184 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.184 -8.173 -0.098 1.00 0.00 C ATOM 1358 C ARG A 96 -3.176 -7.102 0.343 1.00 0.00 C ATOM 1359 O ARG A 96 -3.441 -6.943 1.535 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.322 -8.596 1.092 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.366 -9.735 0.777 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.898 -11.061 1.288 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.365 -11.389 2.608 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.495 -12.582 3.185 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.140 -13.561 2.564 1.00 0.00 N ATOM 1366 NH2 ARG A 96 0.023 -12.796 4.387 1.00 0.00 N ATOM 0 H ARG A 96 -1.028 -6.730 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.750 -9.029 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.748 -7.736 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.973 -8.896 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.211 -9.794 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.605 -9.532 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.986 -11.022 1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.638 -11.852 0.585 1.00 0.00 H new ATOM 0 HE ARG A 96 0.136 -10.661 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.540 -13.402 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.236 -14.473 3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.520 -12.047 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.076 -13.710 4.830 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.731 -6.374 -0.619 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.700 -5.330 -0.312 1.00 0.00 C ATOM 1382 C ILE A 97 -5.995 -5.558 -1.083 1.00 0.00 C ATOM 1383 O ILE A 97 -6.006 -5.539 -2.311 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.134 -3.932 -0.644 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.963 -3.604 0.284 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.218 -2.865 -0.532 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.368 -3.430 1.732 1.00 0.00 C ATOM 0 H ILE A 97 -3.528 -6.487 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.909 -5.375 0.757 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.776 -3.942 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.222 -4.401 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.481 -2.690 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.794 -1.889 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.024 -3.091 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.611 -2.851 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.487 -3.199 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.086 -2.614 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.823 -4.351 2.096 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.085 -5.767 -0.355 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.365 -5.998 -0.996 1.00 0.00 C ATOM 1401 C GLY A 98 -9.397 -4.944 -0.643 1.00 0.00 C ATOM 1402 O GLY A 98 -9.097 -3.983 0.065 1.00 0.00 O ATOM 0 H GLY A 98 -7.106 -5.781 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.227 -6.017 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.740 -6.979 -0.705 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.617 -5.129 -1.136 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.703 -4.193 -0.869 1.00 0.00 C ATOM 1408 C ASN A 99 -12.998 -4.940 -0.566 1.00 0.00 C ATOM 1409 O ASN A 99 -13.656 -5.454 -1.471 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.907 -3.260 -2.063 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.166 -4.016 -3.351 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.398 -4.899 -3.732 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.255 -3.672 -4.030 1.00 0.00 N ATOM 0 H ASN A 99 -10.879 -5.920 -1.724 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.432 -3.599 0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.746 -2.594 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.024 -2.632 -2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.482 -4.146 -4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.864 -2.934 -3.677 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.357 -5.000 0.712 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.572 -5.689 1.134 1.00 0.00 C ATOM 1422 C ASP A 100 -15.736 -4.713 1.266 1.00 0.00 C ATOM 1423 O ASP A 100 -15.705 -3.802 2.093 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.339 -6.407 2.464 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.466 -7.360 2.811 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.642 -6.974 2.645 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.173 -8.492 3.249 1.00 0.00 O ATOM 0 H ASP A 100 -12.824 -4.580 1.474 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.826 -6.425 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.401 -6.960 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.233 -5.669 3.259 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.764 -4.913 0.447 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.943 -4.054 0.471 1.00 0.00 C ATOM 1434 C CYS A 101 -17.559 -2.592 0.262 1.00 0.00 C ATOM 1435 O CYS A 101 -18.221 -1.688 0.772 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.688 -4.213 1.798 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.423 -3.710 1.734 1.00 0.00 S ATOM 0 H CYS A 101 -16.804 -5.664 -0.242 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.598 -4.358 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.634 -5.256 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.178 -3.625 2.561 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.968 -3.883 2.901 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.487 -2.369 -0.490 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.034 -1.015 -0.752 1.00 0.00 C ATOM 1445 C GLY A 102 -15.009 -0.535 0.258 1.00 0.00 C ATOM 1446 O GLY A 102 -14.323 0.461 0.027 1.00 0.00 O ATOM 0 H GLY A 102 -15.924 -3.101 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.603 -0.968 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.891 -0.341 -0.742 1.00 0.00 H new ATOM 1450 N THR A 103 -14.902 -1.241 1.380 1.00 0.00 N ATOM 1451 CA THR A 103 -13.952 -0.876 2.424 1.00 0.00 C ATOM 1452 C THR A 103 -12.585 -1.496 2.156 1.00 0.00 C ATOM 1453 O THR A 103 -12.488 -2.622 1.670 1.00 0.00 O ATOM 1454 CB THR A 103 -14.469 -1.323 3.792 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.766 -0.806 4.032 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.582 -0.889 4.938 1.00 0.00 C ATOM 0 H THR A 103 -15.461 -2.068 1.589 1.00 0.00 H new ATOM 0 HA THR A 103 -13.846 0.209 2.421 1.00 0.00 H new ATOM 0 HB THR A 103 -14.479 -2.412 3.755 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.080 -1.105 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.006 -1.239 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.587 -1.314 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.513 0.199 4.953 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.530 -0.753 2.475 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.167 -1.229 2.268 1.00 0.00 C ATOM 1466 C LEU A 104 -9.806 -2.306 3.286 1.00 0.00 C ATOM 1467 O LEU A 104 -9.949 -2.107 4.493 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.178 -0.062 2.361 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.455 0.284 1.056 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.407 -0.770 0.731 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.450 0.421 -0.089 1.00 0.00 C ATOM 0 H LEU A 104 -11.593 0.182 2.878 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.107 -1.666 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.715 0.822 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.432 -0.298 3.120 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.951 1.241 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.903 -0.508 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.676 -0.817 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.890 -1.741 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.917 0.667 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.985 -0.520 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.162 1.214 0.141 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.336 -3.447 2.791 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.953 -4.555 3.657 1.00 0.00 C ATOM 1485 C ILE A 105 -7.573 -5.086 3.288 1.00 0.00 C ATOM 1486 O ILE A 105 -6.978 -4.660 2.298 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.973 -5.709 3.582 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.081 -6.233 2.149 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.331 -5.248 4.087 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.262 -7.733 2.066 1.00 0.00 C ATOM 0 H ILE A 105 -9.212 -3.628 1.795 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.931 -4.168 4.676 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.626 -6.522 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.922 -5.746 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.182 -5.953 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.041 -6.073 4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.242 -4.920 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.686 -4.420 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.331 -8.034 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.410 -8.229 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.176 -8.019 2.587 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.067 -6.016 4.090 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.756 -6.602 3.848 1.00 0.00 C ATOM 1504 C PHE A 106 -5.852 -8.125 3.773 1.00 0.00 C ATOM 1505 O PHE A 106 -6.564 -8.752 4.559 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.779 -6.175 4.949 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.627 -7.120 5.142 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.744 -8.200 5.999 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.434 -6.928 4.466 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.690 -9.075 6.180 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.376 -7.798 4.642 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.503 -8.873 5.501 1.00 0.00 C ATOM 0 H PHE A 106 -7.546 -6.380 4.914 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.383 -6.240 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.388 -5.186 4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.323 -6.085 5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.669 -8.361 6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.330 -6.089 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.793 -9.915 6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.450 -7.638 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.677 -9.554 5.642 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.131 -8.711 2.823 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.133 -10.158 2.644 1.00 0.00 C ATOM 1524 C LEU A 107 -4.459 -10.852 3.823 1.00 0.00 C ATOM 1525 O LEU A 107 -3.236 -10.989 3.859 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.420 -10.530 1.342 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.325 -10.634 0.113 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.385 -11.704 0.322 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -5.973 -9.290 -0.187 1.00 0.00 C ATOM 0 H LEU A 107 -4.538 -8.206 2.165 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.169 -10.493 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.648 -9.787 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.914 -11.485 1.483 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.713 -10.919 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.020 -11.765 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.902 -12.667 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.994 -11.449 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.613 -9.383 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.572 -8.976 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.199 -8.548 -0.380 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.264 -11.289 4.786 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.745 -11.970 5.967 1.00 0.00 C ATOM 1543 C ALA A 108 -5.259 -13.403 6.044 1.00 0.00 C ATOM 1544 O ALA A 108 -5.250 -13.975 7.155 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.121 -11.203 7.226 1.00 0.00 C ATOM 1546 OXT ALA A 108 -5.667 -13.943 4.994 1.00 0.00 O ATOM 0 H ALA A 108 -6.278 -11.184 4.772 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.658 -12.006 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.727 -11.722 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.699 -10.199 7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.206 -11.137 7.301 1.00 0.00 H new